SCHEMBL4431401

SCHEMBL4431401

O=C(O)c1ccc([N+](=O)[O-])cc1O[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
TDP1 Q9NUW8 2/20 0.58
CYP3A4 P08684 1/20 0.58
ALOX15 P16050 1/20 0.58
MAPT P10636 1/20 0.50
HTT P42858 2/20 0.47
TP53 P04637 2/20 0.47
CTSV O60911 2/20 0.47
CTSL P07711 2/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
CES2 O00748 1/20 0.44
GLA P06280 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL725163 0.87 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL11215522 0.85 CA1 (0.47) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL27566843 0.83 ALDH1A1 (0.58) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL380803 0.83 HTT (0.60) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL28147378 0.83 CES2 (0.52) ALDH1A1TDP1CYP3A4ALOX15MAPT
Water SCHEMBL10360760 0.82 HTT (0.58) ALDH1A1TDP1CYP3A4ALOX15MAPT
Hydrochloric Acid SCHEMBL6224359 0.82 HTT (0.58) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL3011511 0.81 KDM4E (0.59) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL10232058 0.80 ALDH1A1 (0.58) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL5752469 0.80 MAPT (0.54) ALDH1A1TDP1CYP3A4ALOX15MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3980769-B1 METHOD AND SENSOR FOR DETECTION OF TRIACETONE TRIPEROXIDE (TATP), DIACETONE DIPEROXIDE (DADP), HEXAMETHYLENE TRIPEROXIDE DIAMINE (HMTD) AND HYDROGEN PEROXIDE BUNDESREPUBLIK DEUTSCHLAND VERTRETEN DURCH DEN BUNDESMINISTER FUER WIRTSCH UND ENERGIE DIESER VERTRE (DE) 2025-01-22 EP claimed
US-20220299440-A1 METHOD AND SENSOR FOR DETECTION OF TRIACETONE TRIPEROXIDE (TATP), DIACETONE DIPEROXIDE (DADP), HEXAMETHYLENE TRIPEROXIDE DIAMINE (HMTD) AND HYDROGEN PEROXIDE Bundesrepublik Deutschland, vertreten durch den Bundesminister für Wirtschaftund Energie (DE) 2022-09-22 US claimed
EP-3980769-A1 METHOD AND SENSOR FOR DETECTION OF TRIACETONE TRIPEROXIDE (TATP), DIACETONE DIPEROXIDE (DADP), HEXAMETHYLENE TRIPEROXIDE DIAMINE (HMTD) AND HYDROGEN PEROXIDE Bundesrepublik Deutschland, vertreten durch den Bundesminister für Wirtschaft und Energie, dieser vertreten durch den Präsidenten der (DE) 2022-04-13 EP claimed
WO-2020244754-A1 METHOD AND SENSOR FOR DETECTION OF TRIACETONE TRIPEROXIDE (TATP), DIACETONE DIPEROXIDE (DADP), HEXAMETHYLENE TRIPEROXIDE DIAMINE (HMTD) AND HYDROGEN PEROXIDE BUNDESREPUBLIK DEUTSCHLAND, VERTRETEN DURCH DEN BUNDESMINISTER FÜR WIRTSCHAFT UND ENERGIE, DIESER VERTRETEN DURCH DEN PRÄSIDENTEN DER BUNDESANSTALT FÜR MATERIALFORSCHUNG UND - PRÜFUNG (BAM) (DE) 2020-12-10 WO claimed
CN-103555797-B Rapid optimization method for realizing naringinase catalytic naringin based on DNS analysis UNIV JIMEI 2015-04-08 CN claimed
CN-103555797-A Rapid optimization method for realizing naringinase catalytic naringin based on DNS analysis UNIV JIMEI 2014-02-05 CN claimed
EP-3980769-B1 METHOD AND SENSOR FOR DETECTION OF TRIACETONE TRIPEROXIDE (TATP), DIACETONE DIPEROXIDE (DADP), HEXAMETHYLENE TRIPEROXIDE DIAMINE (HMTD) AND HYDROGEN PEROXIDE BUNDESREPUBLIK DEUTSCHLAND VERTRETEN DURCH DEN BUNDESMINISTER FUER WIRTSCH UND ENERGIE DIESER VERTRE (DE) 2025-01-22 EP disclosed
CN-115477695-A Method for improving stability of phycoerythrin by covalent crosslinking of phycoerythrin and chitosan oligosaccharide and application 天津科技大学 2022-12-16 CN disclosed
US-20220299440-A1 METHOD AND SENSOR FOR DETECTION OF TRIACETONE TRIPEROXIDE (TATP), DIACETONE DIPEROXIDE (DADP), HEXAMETHYLENE TRIPEROXIDE DIAMINE (HMTD) AND HYDROGEN PEROXIDE Bundesrepublik Deutschland, vertreten durch den Bundesminister für Wirtschaftund Energie (DE) 2022-09-22 US disclosed
EP-3980769-A1 METHOD AND SENSOR FOR DETECTION OF TRIACETONE TRIPEROXIDE (TATP), DIACETONE DIPEROXIDE (DADP), HEXAMETHYLENE TRIPEROXIDE DIAMINE (HMTD) AND HYDROGEN PEROXIDE Bundesrepublik Deutschland, vertreten durch den Bundesminister für Wirtschaft und Energie, dieser vertreten durch den Präsidenten der (DE) 2022-04-13 EP disclosed
WO-2020244754-A1 METHOD AND SENSOR FOR DETECTION OF TRIACETONE TRIPEROXIDE (TATP), DIACETONE DIPEROXIDE (DADP), HEXAMETHYLENE TRIPEROXIDE DIAMINE (HMTD) AND HYDROGEN PEROXIDE BUNDESREPUBLIK DEUTSCHLAND, VERTRETEN DURCH DEN BUNDESMINISTER FÜR WIRTSCHAFT UND ENERGIE, DIESER VERTRETEN DURCH DEN PRÄSIDENTEN DER BUNDESANSTALT FÜR MATERIALFORSCHUNG UND - PRÜFUNG (BAM) (DE) 2020-12-10 WO disclosed
CN-107095266-B Wheat flavor additive and preparation method thereof 天津科技大学 2020-10-02 CN disclosed
CN-110250264-A A kind of salami lipid antioxidation method 北京工商大学 2019-09-20 CN disclosed
WO-2009150455-A2 METHOD AND APPARATUS FOR CONVERTING BIOWASTE INTO USEFUL COMMERCIAL PRODUCTS ACHOR INTERNATIONAL LIMITED (GB) 2009-12-17 WO disclosed
EP-1145006-B1 DETECTION OF SMALL MOLECULES BY USE OF A PIEZOELECTRIC SENSOR YISSUM RES DEV CO (IL) 2008-03-19 EP disclosed
US-7135295-B1 Isolated antibody or antibody fragment of heavy and light chain variable region sequences; detecting small assayed molecules of TNT or DNT in a sample using the protein by gravimetric monitoring of antigen-antibody binding YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2006-11-14 US disclosed
EP-1145006-A2 DETECTION OF SMALL MOLECULES BY USE OF A PIEZOELECTRIC SENSOR YISSUM RESEARCH AND DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2001-10-17 EP disclosed
WO-2000043774-A2 DETECTION OF SMALL MOLECULES BY USE OF A PIEZOELECTRIC SENSOR YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2000-07-27 WO disclosed
US-5215905-A Applying; filtering; wind drying; storing in cool place MIWON CO., LTD. (KR) 1993-06-01 US disclosed
US-3962038-A FREEING, IRRADIATION POLYMERIZATION DIRECTOR OF NATIONAL FOOD RESEARCH INSTITUTE (JA) 1976-06-08 US disclosed